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BDBM84747 (B) ZD6474::US10155768, Vandetanib::US10183928, Vandetanib::US10202365, Compound Vandetanib::US10227329, Compound Vandetanib::Vandetanib

SMILES: CN1CCC(COc2cc3ncnc(Cc4ccc(Br)cc4F)c3cc2C)CC1

InChI Key: InChIKey=XCZFQNKLJUWULA-UHFFFAOYSA-N

Data: 13 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 84747   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM84747
PNG
((B) ZD6474 | US10155768, Vandetanib | US10183928, ...)
Show SMILES CN1CCC(COc2cc3ncnc(Cc4ccc(Br)cc4F)c3cc2C)CC1
Show InChI InChI=1S/C23H25BrFN3O/c1-15-9-19-21(10-17-3-4-18(24)11-20(17)25)26-14-27-22(19)12-23(15)29-13-16-5-7-28(2)8-6-16/h3-4,9,11-12,14,16H,5-8,10,13H2,1-2H3
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n/an/a 22n/an/an/an/an/a25



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM84747
PNG
((B) ZD6474 | US10155768, Vandetanib | US10183928, ...)
Show SMILES CN1CCC(COc2cc3ncnc(Cc4ccc(Br)cc4F)c3cc2C)CC1
Show InChI InChI=1S/C23H25BrFN3O/c1-15-9-19-21(10-17-3-4-18(24)11-20(17)25)26-14-27-22(19)12-23(15)29-13-16-5-7-28(2)8-6-16/h3-4,9,11-12,14,16H,5-8,10,13H2,1-2H3
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n/an/a 100n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM84747
PNG
((B) ZD6474 | US10155768, Vandetanib | US10183928, ...)
Show SMILES CN1CCC(COc2cc3ncnc(Cc4ccc(Br)cc4F)c3cc2C)CC1
Show InChI InChI=1S/C23H25BrFN3O/c1-15-9-19-21(10-17-3-4-18(24)11-20(17)25)26-14-27-22(19)12-23(15)29-13-16-5-7-28(2)8-6-16/h3-4,9,11-12,14,16H,5-8,10,13H2,1-2H3
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US Patent
n/an/a 9.20n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that...


US Patent US10155768 (2018)


BindingDB Entry DOI: 10.7270/Q2X350J3
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM84747
PNG
((B) ZD6474 | US10155768, Vandetanib | US10183928, ...)
Show SMILES CN1CCC(COc2cc3ncnc(Cc4ccc(Br)cc4F)c3cc2C)CC1
Show InChI InChI=1S/C23H25BrFN3O/c1-15-9-19-21(10-17-3-4-18(24)11-20(17)25)26-14-27-22(19)12-23(15)29-13-16-5-7-28(2)8-6-16/h3-4,9,11-12,14,16H,5-8,10,13H2,1-2H3
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US Patent
n/an/a 4.75E+3n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd

US Patent


Assay Description
Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET (V804L) (i.e., RET with V804L mutation) kinase acti...


US Patent US10155768 (2018)


BindingDB Entry DOI: 10.7270/Q2X350J3
More data for this
Ligand-Target Pair
RET kinase mutant (V804M)


(Homo sapiens (Human))
BDBM84747
PNG
((B) ZD6474 | US10155768, Vandetanib | US10183928, ...)
Show SMILES CN1CCC(COc2cc3ncnc(Cc4ccc(Br)cc4F)c3cc2C)CC1
Show InChI InChI=1S/C23H25BrFN3O/c1-15-9-19-21(10-17-3-4-18(24)11-20(17)25)26-14-27-22(19)12-23(15)29-13-16-5-7-28(2)8-6-16/h3-4,9,11-12,14,16H,5-8,10,13H2,1-2H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.33E+3n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd

US Patent


Assay Description
RET (V804M) (i.e., RET with V804M mutation) kinase activity was measured using purified recombinant human RET (V804M) protein purchased from Eurofins...


US Patent US10155768 (2018)


BindingDB Entry DOI: 10.7270/Q2X350J3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM84747
PNG
((B) ZD6474 | US10155768, Vandetanib | US10183928, ...)
Show SMILES CN1CCC(COc2cc3ncnc(Cc4ccc(Br)cc4F)c3cc2C)CC1
Show InChI InChI=1S/C23H25BrFN3O/c1-15-9-19-21(10-17-3-4-18(24)11-20(17)25)26-14-27-22(19)12-23(15)29-13-16-5-7-28(2)8-6-16/h3-4,9,11-12,14,16H,5-8,10,13H2,1-2H3
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n/an/a 1.20n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
A compound described herein can be tested in vitro for inhibition of wild-type RET and various mutant RET kinases, including e.g., RET V804L, RET V80...


US Patent US10183928 (2019)


BindingDB Entry DOI: 10.7270/Q2CC12RW
More data for this
Ligand-Target Pair
RET kinase mutant (V804M)


(Homo sapiens (Human))
BDBM84747
PNG
((B) ZD6474 | US10155768, Vandetanib | US10183928, ...)
Show SMILES CN1CCC(COc2cc3ncnc(Cc4ccc(Br)cc4F)c3cc2C)CC1
Show InChI InChI=1S/C23H25BrFN3O/c1-15-9-19-21(10-17-3-4-18(24)11-20(17)25)26-14-27-22(19)12-23(15)29-13-16-5-7-28(2)8-6-16/h3-4,9,11-12,14,16H,5-8,10,13H2,1-2H3
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PC cid
PC sid
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US Patent
n/an/a 607n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) was incubated in a total of 12.5 μL of buffer (100 mM HE...


US Patent US10227329 (2019)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM84747
PNG
((B) ZD6474 | US10155768, Vandetanib | US10183928, ...)
Show SMILES CN1CCC(COc2cc3ncnc(Cc4ccc(Br)cc4F)c3cc2C)CC1
Show InChI InChI=1S/C23H25BrFN3O/c1-15-9-19-21(10-17-3-4-18(24)11-20(17)25)26-14-27-22(19)12-23(15)29-13-16-5-7-28(2)8-6-16/h3-4,9,11-12,14,16H,5-8,10,13H2,1-2H3
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n/an/a 1.20n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEP...


US Patent US10202365 (2019)


BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM84747
PNG
((B) ZD6474 | US10155768, Vandetanib | US10183928, ...)
Show SMILES CN1CCC(COc2cc3ncnc(Cc4ccc(Br)cc4F)c3cc2C)CC1
Show InChI InChI=1S/C23H25BrFN3O/c1-15-9-19-21(10-17-3-4-18(24)11-20(17)25)26-14-27-22(19)12-23(15)29-13-16-5-7-28(2)8-6-16/h3-4,9,11-12,14,16H,5-8,10,13H2,1-2H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 902n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
RET kinase mutant (V804M)


(Homo sapiens (Human))
BDBM84747
PNG
((B) ZD6474 | US10155768, Vandetanib | US10183928, ...)
Show SMILES CN1CCC(COc2cc3ncnc(Cc4ccc(Br)cc4F)c3cc2C)CC1
Show InChI InChI=1S/C23H25BrFN3O/c1-15-9-19-21(10-17-3-4-18(24)11-20(17)25)26-14-27-22(19)12-23(15)29-13-16-5-7-28(2)8-6-16/h3-4,9,11-12,14,16H,5-8,10,13H2,1-2H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 607n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 μL of buffer (100 mM HEPES ...


US Patent US10202365 (2019)


BindingDB Entry DOI: 10.7270/Q2736T1G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM84747
PNG
((B) ZD6474 | US10155768, Vandetanib | US10183928, ...)
Show SMILES CN1CCC(COc2cc3ncnc(Cc4ccc(Br)cc4F)c3cc2C)CC1
Show InChI InChI=1S/C23H25BrFN3O/c1-15-9-19-21(10-17-3-4-18(24)11-20(17)25)26-14-27-22(19)12-23(15)29-13-16-5-7-28(2)8-6-16/h3-4,9,11-12,14,16H,5-8,10,13H2,1-2H3
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US Patent
n/an/a 1.20n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) was incubated in a total of 12.5 μL of buffer (100 mM HE...


US Patent US10227329 (2019)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM84747
PNG
((B) ZD6474 | US10155768, Vandetanib | US10183928, ...)
Show SMILES CN1CCC(COc2cc3ncnc(Cc4ccc(Br)cc4F)c3cc2C)CC1
Show InChI InChI=1S/C23H25BrFN3O/c1-15-9-19-21(10-17-3-4-18(24)11-20(17)25)26-14-27-22(19)12-23(15)29-13-16-5-7-28(2)8-6-16/h3-4,9,11-12,14,16H,5-8,10,13H2,1-2H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 902n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) was incubated in a total of 12.5 μL of buffer (100 mM HE...


US Patent US10227329 (2019)


BindingDB Entry DOI: 10.7270/Q22V2JDM
More data for this
Ligand-Target Pair
RET kinase mutant (V804L)


(Homo sapiens (Human))
BDBM84747
PNG
((B) ZD6474 | US10155768, Vandetanib | US10183928, ...)
Show SMILES CN1CCC(COc2cc3ncnc(Cc4ccc(Br)cc4F)c3cc2C)CC1
Show InChI InChI=1S/C23H25BrFN3O/c1-15-9-19-21(10-17-3-4-18(24)11-20(17)25)26-14-27-22(19)12-23(15)29-13-16-5-7-28(2)8-6-16/h3-4,9,11-12,14,16H,5-8,10,13H2,1-2H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 902n/an/an/an/an/an/a



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
A compound described herein can be tested in vitro for inhibition of wild-type RET and various mutant RET kinases, including e.g., RET V804L, RET V80...


US Patent US10183928 (2019)


BindingDB Entry DOI: 10.7270/Q2CC12RW
More data for this
Ligand-Target Pair